2-(5-ethyl-1,2,4-oxadiazol-3-yl)propan-2-amine;hydrochloride

C7H14ClN3O — CID 91662964

IUPAC2-(5-ethyl-1,2,4-oxadiazol-3-yl)propan-2-amine;hydrochloride
SMILESCCc1nc(C(C)(C)N)no1.Cl
InChIInChI=1S/C7H13N3O.ClH/c1-4-5-9-6(10-11-5)7(2,3)8;/h4,8H2,1-3H3;1H
InChIKeyXLRAHRWUDZQCJW-UHFFFAOYSA-N
MW191.66 g/mol
LogP1.25
Rot. Bonds2

About 2-(5-ethyl-1,2,4-oxadiazol-3-yl)propan-2-amine;hydrochloride

2-(5-ethyl-1,2,4-oxadiazol-3-yl)propan-2-amine;hydrochloride (PubChem CID 91662964) has the molecular formula C7H14ClN3O and a molecular weight of 191.66 g/mol. Its IUPAC name is 2-(5-ethyl-1,2,4-oxadiazol-3-yl)propan-2-amine;hydrochloride.

Molecular Properties

Compound Name2-(5-ethyl-1,2,4-oxadiazol-3-yl)propan-2-amine;hydrochloride
PubChem CID91662964
Molecular FormulaC7H14ClN3O
Molecular Weight191.66 g/mol
Exact Mass191.08
IUPAC Name2-(5-ethyl-1,2,4-oxadiazol-3-yl)propan-2-amine;hydrochloride
SMILESCCc1nc(C(C)(C)N)no1.Cl
InChIInChI=1S/C7H13N3O.ClH/c1-4-5-9-6(10-11-5)7(2,3)8;/h4,8H2,1-3H3;1H
InChIKeyXLRAHRWUDZQCJW-UHFFFAOYSA-N
XLogP1.25
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.66
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-Ethyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine
CID 43559358
2-(3-Methyl-1,2,4-oxadiazol-5-yl)ethan-1-amine hydrochloride
CID 46736056
(5-Tert-butyl-1,2,4-oxadiazol-3-yl)methanamine hydrochloride
CID 54594201
(5-Ethyl-1,2,4-oxadiazol-3-yl)methanamine
CID 17604983
2-(5-(Propan-2-yl)-1,2,4-oxadiazol-3-yl)ethan-1-amine
CID 17604997
3-(1-Methylethyl)-1,2,4-oxadiazole-5-methanamine
CID 28063156
5-Ethyl-N-methyl-1,2,4-oxadiazole-3-methanamine, [(5-Ethyl-1,2,4-oxadiazol-3-yl)methyl](methyl)amine
CID 28063889
1-(5-Methyl-1,2,4-oxadiazol-3-yl)cyclobutan-1-amine hydrochloride
CID 42959052
1-(3-Isopropyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 43109733
2-(5-Methyl-1,2,4-oxadiazol-3-yl)propan-2-amine hydrochloride
CID 47003073
2-(5-Tert-butyl-1,2,4-oxadiazol-3-yl)ethan-1-amine hydrochloride
CID 52983672
1-(3-Methyl-1,2,4-oxadiazol-5-yl)cyclopropanamine hydrochloride
CID 56965656

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-1,2,4-oxadiazol-3-yl)propan-2-amine;hydrochloride?
The IUPAC name of 2-(5-ethyl-1,2,4-oxadiazol-3-yl)propan-2-amine;hydrochloride (CID 91662964) is 2-(5-ethyl-1,2,4-oxadiazol-3-yl)propan-2-amine;hydrochloride.
What is the SMILES notation for 2-(5-ethyl-1,2,4-oxadiazol-3-yl)propan-2-amine;hydrochloride?
The canonical SMILES for 2-(5-ethyl-1,2,4-oxadiazol-3-yl)propan-2-amine;hydrochloride is CCc1nc(C(C)(C)N)no1.Cl.
What is the InChIKey of 2-(5-ethyl-1,2,4-oxadiazol-3-yl)propan-2-amine;hydrochloride?
The InChIKey is XLRAHRWUDZQCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O.ClH/c1-4-5-9-6(10-11-5)7(2,3)8;/h4,8H2,1-3H3;1H.
What are the key properties of 2-(5-ethyl-1,2,4-oxadiazol-3-yl)propan-2-amine;hydrochloride?
2-(5-ethyl-1,2,4-oxadiazol-3-yl)propan-2-amine;hydrochloride has a molecular weight of 191.66 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-1,2,4-oxadiazol-3-yl)propan-2-amine;hydrochloride is sourced from PubChem (CID 91662964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).